2,3-bis[4-(2-phenylethynyl)phenyl]quinoxaline-6-carboxylic acid

Systemtic Name: 2,3-bis[4-(2-phenylethynyl)phenyl]quinoxaline-6-carboxylic acid Openeye Name: 2,3-bis[4-(2-phenylethynyl)phenyl]quinoxaline-6-carboxylic acid CAS Name: 2,3-bis[4-(2-phenylethynyl)phenyl]-6-quinoxalinecarboxylic acid IUPAC Name: 2,3-bis[4-(2-phenylethynyl)phenyl]quinoxaline-6-carboxylic acid Traditional Name: 2,3-bis[4-(2-phenylethynyl)phenyl]quinoxaline-6-carboxylic acid Formula: C37H22N2O2 MolecularWeight: 526.58278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C(=O)O)N=C3C5=CC=C(C=C5)C#CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C(=O)O)N=C3C5=CC=C(C=C5)C#CC6=CC=CC=C6

InChI

InChI=1S/C37H22N2O2/c40-37(41)32-23-24-33-34(25-32)39-36(31-21-17-29(18-22-31)14-12-27-9-5-2-6-10-27)35(38-33)30-19-15-28(16-20-30)13-11-26-7-3-1-4-8-26/h1-10,15-25H,(H,40,41)